SCHEMBL9399347

SCHEMBL9399347

CCCCC[C@H]1CC[C@H](CCc2ncc(-c3ccc(OC(=O)CC)c(Br)c3)cn2)CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
PTPN11 Q06124 4/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
PPARG P37231 2/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
TP53 P04637 1/20 0.33
IDH1 O75874 1/20 0.33
PKM P14618 1/20 0.32
DGAT1 O75907 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
ACHE P22303 1/20 0.32
HTR4 Q13639 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9399354 1.00 HPGD (0.35) HPGDPTPN11PTPN1PTPN6PPARG
SCHEMBL9399480 0.89 GRIN2B (0.36) THRATHRBTP53IDH1
SCHEMBL9399470 0.89 GRIN2B (0.36) THRATHRBTP53IDH1
SCHEMBL9398876 0.89 NR3C1 (0.38) HPGDPTPN11PTPN1PTPN6PPARG
SCHEMBL9399154 0.89 GRM2 (0.37) HPGDTHRATHRBTP53IDH1
SCHEMBL9398862 0.89 NR3C1 (0.38) HPGDPTPN11PTPN1PTPN6PPARG
SCHEMBL9399149 0.89 GRM2 (0.37) HPGDTHRATHRBTP53IDH1
SCHEMBL9398701 0.88 ACACB (0.35) HPGDPTPN11PTPN1PTPN6PPARG
SCHEMBL9398693 0.88 ACACB (0.35) HPGDPTPN11PTPN1PTPN6PPARG
SCHEMBL9399340 0.86 HPGD (0.33) HPGDPTPN11PTPN1PTPN6PPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5338483-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-08-16 US disclosed
US-5310501-A Anisotropic compounds having Nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-05-10 US disclosed
US-5227484-A ANISOTROPIC COMPOUNDS HAVING NEMATIC PHASE AND LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1993-07-13 US disclosed
US-5179101-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1993-01-12 US disclosed
US-5047170-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1991-09-10 US disclosed
US-4808333-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1989-02-28 US disclosed
EP-0084194-B1 LIQUID CRYSTAL MIXTURES MERCK PATENT GmbH (DE) 1986-04-30 EP disclosed
EP-0084194-A1 Liquid crystal mixtures MERCK PATENT GmbH (DE) 1983-07-27 EP disclosed